CID 3159589

2-(4-(1h-tetrazol-1-yl)phenoxy)acetic acid

Structural Information

Molecular Formula
C9H8N4O3
SMILES
C1=CC(=CC=C1N2C=NN=N2)OCC(=O)O
InChI
InChI=1S/C9H8N4O3/c14-9(15)5-16-8-3-1-7(2-4-8)13-6-10-11-12-13/h1-4,6H,5H2,(H,14,15)
InChIKey
LFHALYQHTJOQOT-UHFFFAOYSA-N
Compound name
2-[4-(tetrazol-1-yl)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

220.05965 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.06693 144.5
[M+Na]+ 243.04887 153.3
[M-H]- 219.05237 145.1
[M+NH4]+ 238.09347 158.0
[M+K]+ 259.02281 150.8
[M+H-H2O]+ 203.05691 134.9
[M+HCOO]- 265.05785 164.2
[M+CH3COO]- 279.07350 182.9
[M+Na-2H]- 241.03432 150.2
[M]+ 220.05910 145.9
[M]- 220.06020 145.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe